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Information card for entry 7011709
Preview
Coordinates | 7011709.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Bis[(S,S)-1,2-bis (1H-benzimidazol-2-yl) -1,2- ethanediol] copper(II) diperchlorate |
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Formula | C73 H70 Cl6 Cu2 N20 O24 |
Calculated formula | C73 H50 Cl6 Cu2 N20 O24 |
SMILES | [Cu]1234([OH][C@H]([C@@H](O)c5[n]1c1ccccc1[nH]5)c1[n]2c2ccccc2[nH]1)[OH][C@H]([C@@H](O)c1[n]3c2ccccc2[nH]1)c1[n]4c2ccccc2[nH]1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].C(Cl)Cl.N#CC.N#CC |
Title of publication | 1,2-Bis(2-benzimidazolyl)-1,2-ethanediol, a chiral, tridentate, facially coordinating ligand |
Authors of publication | Katharina Isele; Vanessa Broughton; Craig J. Matthews; Alan F. Williams; Gérald Bernardinelli; Patrick Franz; Silvio Decurtins |
Journal of publication | J. Chem. Soc., Dalton Trans. |
Year of publication | 2002 |
Journal issue | 20 |
Pages of publication | 3899 - 3905 |
a | 11.296 ± 0.001 Å |
b | 12.335 ± 0.001 Å |
c | 16.357 ± 0.001 Å |
α | 70.279 ± 0.005° |
β | 77.976 ± 0.005° |
γ | 76.047 ± 0.006° |
Cell volume | 2061.9 ± 0.3 Å3 |
Cell temperature | 200 K |
Number of distinct elements | 6 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for significantly intense reflections | 0.044 |
Weighted residual factors for all reflections included in the refinement | 0.056 |
Goodness-of-fit parameter for all reflections included in the refinement | 2.7 |
Diffraction radiation wavelength | 1.54183 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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